N-(4-cyanophenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide

C16H17N5O2 — CID 109343279

IUPACN-(4-cyanophenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
SMILESCOCCCNc1cc(C(=O)Nc2ccc(C#N)cc2)ncn1
InChIInChI=1S/C16H17N5O2/c1-23-8-2-7-18-15-9-14(19-11-20-15)16(22)21-13-5-3-12(10-17)4-6-13/h3-6,9,11H,2,7-8H2,1H3,(H,21,22)(H,18,19,20)
InChIKeyGVGXXPFAUJJMRG-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.05
Rot. Bonds7

About N-(4-cyanophenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide

N-(4-cyanophenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide (PubChem CID 109343279) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is N-(4-cyanophenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
PubChem CID109343279
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC NameN-(4-cyanophenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
SMILESCOCCCNc1cc(C(=O)Nc2ccc(C#N)cc2)ncn1
InChIInChI=1S/C16H17N5O2/c1-23-8-2-7-18-15-9-14(19-11-20-15)16(22)21-13-5-3-12(10-17)4-6-13/h3-6,9,11H,2,7-8H2,1H3,(H,21,22)(H,18,19,20)
InChIKeyGVGXXPFAUJJMRG-UHFFFAOYSA-N
XLogP2.05
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4-cyanophenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343201
N-(4-cyanophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353572
N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343241
6-(4-cyanoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109343097
N-(3-cyanophenyl)-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109353666
N-(4-acetylphenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109342867
6-(4-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359086
6-(3-methoxypropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109343244
N-(2,5-dimethoxyphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343225
N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109342902
N-(4-cyanophenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347135
6-(butylamino)-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide
CID 109339917

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide (CID 109343279) is N-(4-cyanophenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide is COCCCNc1cc(C(=O)Nc2ccc(C#N)cc2)ncn1.
What is the InChIKey of N-(4-cyanophenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide?
The InChIKey is GVGXXPFAUJJMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-23-8-2-7-18-15-9-14(19-11-20-15)16(22)21-13-5-3-12(10-17)4-6-13/h3-6,9,11H,2,7-8H2,1H3,(H,21,22)(H,18,19,20).
What are the key properties of N-(4-cyanophenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide?
N-(4-cyanophenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109343279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).